(1-methyl-5-nitropyrrol-2-yl)-pyrrolidin-1-ylmethanone

C10H13N3O3 — CID 163856178

IUPAC(1-methyl-5-nitropyrrol-2-yl)-pyrrolidin-1-ylmethanone
SMILESCn1c(C(=O)N2CCCC2)ccc1[N+](=O)[O-]
InChIInChI=1S/C10H13N3O3/c1-11-8(4-5-9(11)13(15)16)10(14)12-6-2-3-7-12/h4-5H,2-3,6-7H2,1H3
InChIKeyOYMPHMOFGNJRNP-UHFFFAOYSA-N
MW223.23 g/mol
LogP1.17
Rot. Bonds2

About (1-methyl-5-nitropyrrol-2-yl)-pyrrolidin-1-ylmethanone

(1-methyl-5-nitropyrrol-2-yl)-pyrrolidin-1-ylmethanone (PubChem CID 163856178) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is (1-methyl-5-nitropyrrol-2-yl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(1-methyl-5-nitropyrrol-2-yl)-pyrrolidin-1-ylmethanone
PubChem CID163856178
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name(1-methyl-5-nitropyrrol-2-yl)-pyrrolidin-1-ylmethanone
SMILESCn1c(C(=O)N2CCCC2)ccc1[N+](=O)[O-]
InChIInChI=1S/C10H13N3O3/c1-11-8(4-5-9(11)13(15)16)10(14)12-6-2-3-7-12/h4-5H,2-3,6-7H2,1H3
InChIKeyOYMPHMOFGNJRNP-UHFFFAOYSA-N
XLogP1.17
TPSA68.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1-methyl-5-nitropyrrol-2-yl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (1-methyl-5-nitropyrrol-2-yl)-pyrrolidin-1-ylmethanone (CID 163856178) is (1-methyl-5-nitropyrrol-2-yl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (1-methyl-5-nitropyrrol-2-yl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (1-methyl-5-nitropyrrol-2-yl)-pyrrolidin-1-ylmethanone is Cn1c(C(=O)N2CCCC2)ccc1[N+](=O)[O-].
What is the InChIKey of (1-methyl-5-nitropyrrol-2-yl)-pyrrolidin-1-ylmethanone?
The InChIKey is OYMPHMOFGNJRNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-11-8(4-5-9(11)13(15)16)10(14)12-6-2-3-7-12/h4-5H,2-3,6-7H2,1H3.
What are the key properties of (1-methyl-5-nitropyrrol-2-yl)-pyrrolidin-1-ylmethanone?
(1-methyl-5-nitropyrrol-2-yl)-pyrrolidin-1-ylmethanone has a molecular weight of 223.23 g/mol, XLogP of 1.17, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-5-nitropyrrol-2-yl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 163856178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).